D2CCO+

Vibrational and/or electronic energy levels

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Marilyn E. Jacox

State:   E
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 68261 ± 11 gas Hall, Maier, et al., 1977
Niu, Bai, et al., 1993
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 1133 ± 4 gas PE Niu, Bai, et al., 1993
834 ± 4 gas PE Hall, Maier, et al., 1977
Niu, Bai, et al., 1993

State:   D
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 54117 T gas Hall, Maier, et al., 1977
Niu, Bai, et al., 1993
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 1267 ± 4 gas PE Niu, Bai, et al., 1993
1204 ± 4 gas PE Niu, Bai, et al., 1993
1169 ± 4 gas PE Niu, Bai, et al., 1993

State:   C
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 52222 ± 3 gas Baker and Turner, 1969
Hall, Maier, et al., 1977
Vogt, Williamson, et al., 1978
Niu, Bai, et al., 1993
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 1102 ± 4 gas PE Niu, Bai, et al., 1993
800 ± 4 gas PE Hall, Maier, et al., 1977
Niu, Bai, et al., 1993

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 39383 ± 8 gas Hall, Maier, et al., 1977
Vogt, Williamson, et al., 1978
Niu, Bai, et al., 1993
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 1732 ± 4 gas PE Niu, Bai, et al., 1993
1056 ± 4 gas PE Niu, Bai, et al., 1993
848 ± 4 gas PE Niu, Bai, et al., 1993

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 34077 ± 9 gas Hall, Maier, et al., 1977
Vogt, Williamson, et al., 1978
Niu, Bai, et al., 1993
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 2140 ± 4 gas PE Niu, Bai, et al., 1993
1007 ± 4 gas PE Niu, Bai, et al., 1993
106 ± 4 gas PE Niu, Bai, et al., 1993
b1 OPLA 299 ± 4 gas PE Niu, Bai, et al., 1993

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 1 Mixed 2241.3 ± 1.0 gas TPE TPI Hall, Maier, et al., 1977
Vogt, Williamson, et al., 1978
Niu, Bai, et al., 1993
Willitsch, Haldi, et al., 2002
Wang, Shi, et al., 2002
3 CCO s-stretch 1096.1 ± 1.5 gas TPE TPI Hall, Maier, et al., 1977
Vogt, Williamson, et al., 1978
Niu, Bai, et al., 1993
Willitsch, Haldi, et al., 2002
Wang, Shi, et al., 2002
4 CD2 scissors 916.3 ± 2.0 gas TPE TPI Niu, Bai, et al., 1993
Willitsch, Haldi, et al., 2002
Wang, Shi, et al., 2002
b1 5 CCO bend 586 ± 5 gas TPI Wang, Shi, et al., 2002
6 CD2 wag 447 ± 5 gas TPI Wang, Shi, et al., 2002
b2 8 CD2 rock 866 ± 2 gas TPI Wang, Shi, et al., 2002
9 CCO bend 359 ± 10 T gas TPI Wang, Shi, et al., 2002

Notes

TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Hall, Maier, et al., 1977
Hall, D.; Maier, J.P.; Rosmus, P., Electronic states of ketene radical cation, Chem. Phys., 1977, 24, 373. [all data]

Niu, Bai, et al., 1993
Niu, B.; Bai, Y.; Shirley, D.A., High resolution He Iα photoelectron spectroscopy of H2CCO and D2CCO using supersonic molecular beams, Chem. Phys. Lett., 1993, 201, 1-4, 217, https://doi.org/10.1016/0009-2614(93)85059-W . [all data]

Baker and Turner, 1969
Baker, D.; Turner, D.W., J. Chem. Soc. D, 1969, 480. [all data]

Vogt, Williamson, et al., 1978
Vogt, J.; Williamson, A.D.; Beauchamp, J.L., Properties and reactions of ketene in the gas phase by ion cyclotron resonance spectroscopy and photoionization mass spectrometry. Proton affinity, site specificity of protonation, and heat of formation of ketene, J. Am. Chem. Soc., 1978, 100, 3478. [all data]

Willitsch, Haldi, et al., 2002
Willitsch, S.; Haldi, A.; Merkt, F., Rovibrational energy level structure of the ground electronic state of CH2CO+ and CD2CO+, Chem. Phys. Lett., 2002, 353, 1-2, 167, https://doi.org/10.1016/S0009-2614(01)01495-6 . [all data]

Wang, Shi, et al., 2002
Wang, S.; Shi, Y.; Jakubek, Z.J.; Barnett, M.; Simard, B.; Muller-Dethlefs, K.; Liu, C.-P.; Lee, Y.-P., Nonresonant two-photon mass analyzed threshold ionization and zero kinetic energy photoelectron investigation of the X [sup 2]B[sub 1] ground state of CH[sub 2]CO[sup +] and CD[sub 2]CO[sup +], J. Chem. Phys., 2002, 117, 14, 6546, https://doi.org/10.1063/1.1506157 . [all data]

Notes

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